3-amino-4-(3-methylanilino)benzenesulfonamide

C13H15N3O2S — CID 43153464

IUPAC3-amino-4-(3-methylanilino)benzenesulfonamide
SMILESCc1cccc(Nc2ccc(S(N)(=O)=O)cc2N)c1
InChIInChI=1S/C13H15N3O2S/c1-9-3-2-4-10(7-9)16-13-6-5-11(8-12(13)14)19(15,17)18/h2-8,16H,14H2,1H3,(H2,15,17,18)
InChIKeyHQQZFSDKSQYVSN-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.97
Rot. Bonds3

About 3-amino-4-(3-methylanilino)benzenesulfonamide

3-amino-4-(3-methylanilino)benzenesulfonamide (PubChem CID 43153464) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-4-(3-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(3-methylanilino)benzenesulfonamide
PubChem CID43153464
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-4-(3-methylanilino)benzenesulfonamide
SMILESCc1cccc(Nc2ccc(S(N)(=O)=O)cc2N)c1
InChIInChI=1S/C13H15N3O2S/c1-9-3-2-4-10(7-9)16-13-6-5-11(8-12(13)14)19(15,17)18/h2-8,16H,14H2,1H3,(H2,15,17,18)
InChIKeyHQQZFSDKSQYVSN-UHFFFAOYSA-N
XLogP1.97
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide
CID 43341117
3-amino-4-[(3-methylphenyl)methylamino]benzenesulfonamide
CID 60904104
4-chloro-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 29067463
3-amino-4-(2-bromoanilino)benzenesulfonamide
CID 43330972
1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448062
3-amino-4-(3,4,5-trifluoroanilino)benzenesulfonamide
CID 62809987
5-methyl-2-(3-sulfamoylanilino)benzenecarbothioamide
CID 107928403
3-methylbenzenesulfonamide
CID 69347063
1-N-(2-bromo-4-methylphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448020
3-amino-4-(1,3-benzodioxol-5-ylamino)benzenesulfonamide
CID 43153447
5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide
CID 103286682
2-methyl-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 43165599

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methylanilino)benzenesulfonamide?
The IUPAC name of 3-amino-4-(3-methylanilino)benzenesulfonamide (CID 43153464) is 3-amino-4-(3-methylanilino)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(3-methylanilino)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(3-methylanilino)benzenesulfonamide is Cc1cccc(Nc2ccc(S(N)(=O)=O)cc2N)c1.
What is the InChIKey of 3-amino-4-(3-methylanilino)benzenesulfonamide?
The InChIKey is HQQZFSDKSQYVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-3-2-4-10(7-9)16-13-6-5-11(8-12(13)14)19(15,17)18/h2-8,16H,14H2,1H3,(H2,15,17,18).
What are the key properties of 3-amino-4-(3-methylanilino)benzenesulfonamide?
3-amino-4-(3-methylanilino)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methylanilino)benzenesulfonamide is sourced from PubChem (CID 43153464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).